N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline

C22H22N2O2 — CID 5084766

IUPACN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
SMILESCOc1ccc(C=NNc2cccc(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-17-7-6-10-20(13-17)24-23-15-19-11-12-21(25-2)22(14-19)26-16-18-8-4-3-5-9-18/h3-15,24H,16H2,1-2H3
InChIKeyIYWQGNDFUNAFOE-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.03
Rot. Bonds7

About N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline

N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline (PubChem CID 5084766) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline.

Molecular Properties

Compound NameN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
PubChem CID5084766
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline
SMILESCOc1ccc(C=NNc2cccc(C)c2)cc1OCc1ccccc1
InChIInChI=1S/C22H22N2O2/c1-17-7-6-10-20(13-17)24-23-15-19-11-12-21(25-2)22(14-19)26-16-18-8-4-3-5-9-18/h3-15,24H,16H2,1-2H3
InChIKeyIYWQGNDFUNAFOE-UHFFFAOYSA-N
XLogP5.03
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]aniline
CID 110840797
3-[(2E)-2-[[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110505152
N-[[4-methoxy-3-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382744
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methylaniline
CID 9060725
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5008756
4-fluoro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110506224
3-chloro-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-methylaniline
CID 110506478
N-[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]-3-methylaniline
CID 9060532
N-[[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]aniline
CID 169384243
N-[(E)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-methylaniline
CID 110505513
N-[2-[2-[(4-methoxy-3-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 3438139
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]-2-methylaniline
CID 4117636

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline?
The IUPAC name of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline (CID 5084766) is N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline.
What is the SMILES notation for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline?
The canonical SMILES for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline is COc1ccc(C=NNc2cccc(C)c2)cc1OCc1ccccc1.
What is the InChIKey of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline?
The InChIKey is IYWQGNDFUNAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-17-7-6-10-20(13-17)24-23-15-19-11-12-21(25-2)22(14-19)26-16-18-8-4-3-5-9-18/h3-15,24H,16H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline?
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline has a molecular weight of 346.43 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-3-methylaniline is sourced from PubChem (CID 5084766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).